General Information of the Compound
| Compound ID |
CP0482031
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| Compound Name |
1-[4-[1-adamantyl(phenyl)methyl]phenyl]-4-cyclohexylpiperazine
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| Structure |
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| Formula |
C33H44N2
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| Molecular Weight |
468.729
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| Canonical SMILES |
C1CCC(CC1)N1CCN(CC1)c1ccc(cc1)C(c1ccccc1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C33H44N2/c1-3-7-28(8-4-1)32(33-22-25-19-26(23-33)21-27(20-25)24-33)29-11-13-31(14-12-29)35-17-15-34(16-18-35)30-9-5-2-6-10-30/h1,3-4,7-8,11-14,25-27,30,32H,2,5-6,9-10,15-24H2
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| InChIKey |
MBKZYAWDLFDILI-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound